SCHEMBL5485609

SCHEMBL5485609

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.85
AVPR1A P37288 12/20 0.85
ABCB11 O95342 2/20 0.85
HTR1A P08908 2/20 0.85
CHRM1 P11229 2/20 0.85
OPRM1 P35372 2/20 0.85
ADRB2 P07550 1/20 0.85
ADORA3 P0DMS8 1/20 0.85
TBXA2R P21731 1/20 0.85
HTR2C P28335 1/20 0.85
HRH1 P35367 1/20 0.85
GLP1R P43220 1/20 0.85
TMEM97 Q5BJF2 1/20 0.85
FFAR4 Q5NUL3 1/20 0.85
GPR119 Q8TDV5 1/20 0.85
OXTR P30559 1/20 0.65
SLC6A4 P31645 1/20 0.65
ADRA1A P35348 1/20 0.65
AVPR1B P47901 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tolvaptan SCHEMBL15846692 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL29776655 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL1650272 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL29720852 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8246087 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL31206968 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL242421 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL29389767 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
Tolvaptan SCHEMBL20769792 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7346343 0.89 AVPR2 (0.69) AVPR2AVPR1AABCB11HTR1ACHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof ECOLE POLYTECHNIQUE (FR) 2007-08-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof CYP2F1, MAOB, CYP1A2 AVPR2 1203/4885AVPR1A 2001/4885ABCB11 3034/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.